Skip Navigation Links
ScientificNameLabel
2-acetyl-5-methylpyrazine
PHCD compound ID : 2181
Chemical Names :
2-acetyl-5-methylpyrazine
Molecular Formula : C7H8N2O1
Molecular Weight : 136.063663
More Details :
Names & Synonyms: 1-(5-methylpyrazin-2-yl)ethanone , 1-(5-methyl-2-pyrazinyl)ethanone
Smiles: Cc1cnc(cn1)C(=O)C
InChi : InChI=1S/C7H8N2O/c1-5-3-9-7(4-8-5)6(2)10/h3-4H,1-2H3
InChi Key : InChIKey=LPQFLJXNMCVMCO-UHFFFAOYSA-N
PubChem ID : 30915
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.121031
Hydrogen bond donor count : 0 Electric dipole moment : 3.697
XLogP : -0.553 VDW volume : 126.609805
Molecular weight : 136.063663 HOMO-LUMO gap : 8.955000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us